[10,13-dimethyl-17-[1-(phenylcarbonyloxy)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

Systemtic Name: [10,13-dimethyl-17-[1-(phenylcarbonyloxy)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Openeye Name: [17-(1-benzoyloxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate CAS Name: benzoic acid [17-(1-benzoyloxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [17-(1-benzoyloxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Traditional Name: benzoic acid [17-(1-benzoyloxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C35H42O4 MolecularWeight: 526.70558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C35H42O4/c1-23(38-32(36)24-10-6-4-7-11-24)29-16-17-30-28-15-14-26-22-27(39-33(37)25-12-8-5-9-13-25)18-20-34(26,2)31(28)19-21-35(29,30)3/h4-14,23,27-31H,15-22H2,1-3H3